bond/react: create atoms error check
check that post-reaction template has 'Coords' section if it has 'CreateIDs' section
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@ -3937,6 +3937,8 @@ void FixBondReact::CreateAtoms(char *line, int myrxn)
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sscanf(line,"%d",&tmp);
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create_atoms[tmp-1][myrxn] = 1;
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}
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if (twomol->xflag == 0)
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error->one(FLERR,"Fix bond/react: 'Coords' section required in post-reaction template when creating new atoms");
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}
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void FixBondReact::CustomCharges(int ifragment, int myrxn)
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